3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide

C27H36N4O2 — CID 118302909

IUPAC3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide
SMILESCN(C)CC(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C27H36N4O2/c1-30(2)18-25(32)31-13-11-27(12-14-31,17-20-7-6-10-22(15-20)26(28)33)19-29-24-16-23(24)21-8-4-3-5-9-21/h3-10,15,23-24,29H,11-14,16-19H2,1-2H3,(H2,28,33)/t23?,24-/m1/s1
InChIKeyISSIYHKACDAXHR-XMMISQBUSA-N
MW448.61 g/mol
LogP2.64
Rot. Bonds9

About 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide

3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 118302909) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide
PubChem CID118302909
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide
SMILESCN(C)CC(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C27H36N4O2/c1-30(2)18-25(32)31-13-11-27(12-14-31,17-20-7-6-10-22(15-20)26(28)33)19-29-24-16-23(24)21-8-4-3-5-9-21/h3-10,15,23-24,29H,11-14,16-19H2,1-2H3,(H2,28,33)/t23?,24-/m1/s1
InChIKeyISSIYHKACDAXHR-XMMISQBUSA-N
XLogP2.64
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide (CID 118302909) is 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide is CN(C)CC(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is ISSIYHKACDAXHR-XMMISQBUSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-30(2)18-25(32)31-13-11-27(12-14-31,17-20-7-6-10-22(15-20)26(28)33)19-29-24-16-23(24)21-8-4-3-5-9-21/h3-10,15,23-24,29H,11-14,16-19H2,1-2H3,(H2,28,33)/t23?,24-/m1/s1.
What are the key properties of 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide?
3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 448.61 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(dimethylamino)acetyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 118302909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).